Compound Detail
CHEMBL1957009
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Cc1nc2ncc(Oc3ccc(-c4ccccc4)cc3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1
Basic Information
| ChEMBL ID | CHEMBL1957009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOQMLQAPIIFRJX-NRFANRHFSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
5.07
ALogP
7
HBA
0
HBD
73.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Ki 1 meas. best 9.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | Ki | 9.57 | 9.57 | 0.3 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | Ki | = | 0.27 | nM | 9.57 | Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a ... | 22342626 |
| Unchecked | IC50 | = | 80.0 | nM | 7.1 | Antagonist activity at mouse GSH-R1a receptor expressed in HEK293 cells assessed... | 22342626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22342626 | 10.1016/j.bmcl.2012.01.078 | Growth hormone secretagogue receptor type 1 | 1 |
| 22342626 | 10.1016/j.bmcl.2012.01.078 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine